COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK857191
Chemical Name: (2Z)-7-(azepanium-1-ylmethyl)-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: [O-]c1ccc2c(c1C[NH+]1CCCCCC1)O/C(=C\c1sccc1C)/C2=O

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Molecular Weight: 369.48
Empirical Formula: C21H23NO3S

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 4.345
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 82
Number of rings: 4

     

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